Geometry & MOs

Info

ID:	361988
PubChem CID:	127305334
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	388.130218
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	10.23
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-4-[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations